Geometry & MOs

Info

ID:	248286
PubChem CID:	103080273
Reduced:	O3N5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	225.122575
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	7.32
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-(1-methyl-4-nitropyrazol-3-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCOC2CCC(CC2)N)[N+](=O)[O-]

DOS

IR

Vibrations