Geometry & MOs

Info

ID:	422229
PubChem CID:	135117447
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	5.05
IP(EA), eV:	-8.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C2=CC=CC=C2C=C1)CN(C)[C@@H]3C[C@@H]4CC(=O)N(C[C@@H]4C3)C

DOS

IR

Vibrations