Geometry & MOs

Info

ID:	182880
PubChem CID:	76948859
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	195.148396
ΔH_f, kcal/mol:	12.25
Dipole, Da:	5.43
IP(EA), eV:	-9.56(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-5-ylmethyl)-3,5-dimethylpyrazolidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC(=CC1=CC=CS1)[N+](=O)[O-]

DOS

IR

Vibrations