Geometry & MOs

Info

ID:	131871
PubChem CID:	51272562
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	386.078183
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	8.95
IP(EA), eV:	-9.24(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations