Geometry & MOs

Info

ID:	247529
PubChem CID:	103072107
Reduced:	BrO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	300.02219
ΔH_f, kcal/mol:	54.31
Dipole, Da:	7.89
IP(EA), eV:	-9.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)CN1C=C(C(=N1)[N+](=O)[O-])Br

DOS

IR

Vibrations