Geometry & MOs

Info

ID:	248295
PubChem CID:	103080352
Reduced:	O2N5C10H19 (1)
Stoich.:	A2B5C10D19 (1)
Weight, g/mol:	239.138225
ΔH_f, kcal/mol:	11.22
Dipole, Da:	7.02
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C(C)(CN)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations