Geometry & MOs

Info

ID:	445659
PubChem CID:	135268779
Reduced:	FN4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	463.117795
ΔH_f, kcal/mol:	-3.02
Dipole, Da:	2.35
IP(EA), eV:	-8.05(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-chloro-1,2-dihydropyridin-2-yl)methyl]-2-(2-chlorophenyl)imidazol-4-yl]-methylcarbamoyl]-N-(3-hydroxypropyl)formamide

Drug info:

PubChemData

Smile

CCCCN(CCC)C(=C)/C(=C(/N)\NC=C)/N(C)CC1=CC=C(C=C1)F

DOS

IR

Vibrations