Geometry & MOs

Info

ID:	344161
PubChem CID:	127267337
Reduced:	BrClN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	2.76
IP(EA), eV:	-9.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-imidazol-1-ylphenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CC1=C(C=C(C=N1)Br)Cl)(C2CC2)O

DOS

IR

Vibrations