Geometry & MOs

Info

ID:	248280
PubChem CID:	103080205
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	21.31
Dipole, Da:	7.12
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2C[C@H]3CCC(C[C@H]3C2)N)[N+](=O)[O-]

DOS

IR

Vibrations