Geometry & MOs

Info

ID:	330672
PubChem CID:	127248079
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	2.48
IP(EA), eV:	-8.79(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCC(C2)(CN3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations