Geometry & MOs

Info

ID:	418574
PubChem CID:	135105842
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-40.89
Dipole, Da:	2.12
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(dimethylamino)ethyl]-2-methoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)CCCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations