Geometry & MOs

Info

ID:	248234
PubChem CID:	103079881
Reduced:	O4N5C11H11 (1)
Stoich.:	A4B5C11D11 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	53.26
Dipole, Da:	7.94
IP(EA), eV:	-9.31(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations