Geometry & MOs

Info

ID:

190064

PubChem CID:

77946664

Reduced:

O3N5H17C20 (1)

Stoich.:

A3B5C17D20 (1)

Weight, g/mol:

691.384603

ΔHf, kcal/mol:

12.51

Dipole, Da:

6.75

IP(EA), eV:

 -9.17(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[cyclopropyl-[[1-(3-methoxypropyl)-2,3-dihydroindol-3-yl]methyl]carbamoyl]-4-[3-[4-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=NC(=O)C3=C(N2)C=CC(=C3)C4=CN=NC4

DOS

IR

Vibrations