Geometry & MOs

Info

ID:	30365
PubChem CID:	841199
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	4.09
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN([C@](C1)(C2=CN=CC=C2)O)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations