Geometry & MOs

Info

ID:	145823
PubChem CID:	53598388
Reduced:	N3O5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-185.41
Dipole, Da:	3.1
IP(EA), eV:	-8.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C(=O)OC)OC

DOS

IR

Vibrations