Geometry & MOs

Info

ID:	414825
PubChem CID:	135087796
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	1.91
IP(EA), eV:	-8.42(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2C[C@@H]3CC[C@H](C2)N(C3=O)CC(=O)N(C)C

DOS

IR

Vibrations