Geometry & MOs

Info

ID:	244321
PubChem CID:	99343969
Reduced:	ClO2N6H23C27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	353.112404
ΔH_f, kcal/mol:	47.61
Dipole, Da:	7.37
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-nitro-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)NC3=CN(N=C3)CC4=CC=NC=C4)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations