Geometry & MOs

Info

ID:	30521
PubChem CID:	841445
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	317.112404
ΔH_f, kcal/mol:	-129.57
Dipole, Da:	6.37
IP(EA), eV:	-9.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methylideneamino]-2,5-dimethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([C@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)O)C

DOS

IR

Vibrations