Geometry & MOs

Info

ID:	247489
PubChem CID:	103071853
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	6.21
IP(EA), eV:	-9.39(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2CCOC2=O

DOS

IR

Vibrations