Geometry & MOs

Info

ID:	132572
PubChem CID:	51380762
Reduced:	SN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877656
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-methyl-6-[2-[1-(4-nitrophenyl)ethenyl]hydrazinyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OC3CCCCC3)N)C

DOS

IR

Vibrations