Geometry & MOs

Info

ID:	172481
PubChem CID:	75514197
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	328.012996
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	5.21
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(C=C(C=C1)C)OC2CCOC2)NCC=C

DOS

IR

Vibrations