Geometry & MOs

Info

ID:	423445
PubChem CID:	135119516
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	8.62
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCN4CCNC(=O)C4C3)OC

DOS

IR

Vibrations