Geometry & MOs

Info

ID:	343542
PubChem CID:	127266715
Reduced:	ClO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	305.148789
ΔH_f, kcal/mol:	45.76
Dipole, Da:	3.98
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N(C)CC2=C(N(N=C2C)C)Cl)[N+](=O)[O-]

DOS

IR

Vibrations