Geometry & MOs

Info

ID:	421558
PubChem CID:	135116203
Reduced:	N5O6C33H45 (1)
Stoich.:	A5B6C33D45 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-238.51
Dipole, Da:	10.63
IP(EA), eV:	-8.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-(3-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)CC45CC6CC(C4)CC(C6)(C5)O

DOS

IR

Vibrations