Geometry & MOs

Info

ID:	445621
PubChem CID:	135268596
Reduced:	PO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	458.172083
ΔH_f, kcal/mol:	11.56
Dipole, Da:	2.18
IP(EA), eV:	-8.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-5-(ethylamino)-N-(3-hydroxypropyl)-2-(4-methoxyphenoxy)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=CC=CC(=O)N2C)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)P

DOS

IR

Vibrations