Geometry & MOs

Info

ID:	248229
PubChem CID:	103079825
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	40.08
Dipole, Da:	5.88
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4-nitropyrazol-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations