Geometry & MOs

Info

ID:	247490
PubChem CID:	103071854
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	27.26
Dipole, Da:	7.95
IP(EA), eV:	-9.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=C)CN)C)[N+](=O)[O-]

DOS

IR

Vibrations