Geometry & MOs

Info

ID:	419413
PubChem CID:	135108132
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-162.28
Dipole, Da:	7.09
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)C(=O)CCC2=NC(=NO2)C3=CC=CC(=C3)C)C(=O)O

DOS

IR

Vibrations