Geometry & MOs

Info

ID:	151213
PubChem CID:	53790913
Reduced:	ClNO3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	469.2186
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	2.16
IP(EA), eV:	-9.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3-amino-3-hydroxyiminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[1-(methylamino)pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)CCl)CC(=O)OC

DOS

IR

Vibrations