Geometry & MOs

Info

ID:	36476
PubChem CID:	8007250
Reduced:	ON6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	386.150954
ΔH_f, kcal/mol:	89.64
Dipole, Da:	4.31
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC3=CC=CC=C3C#N

DOS

IR

Vibrations