Geometry & MOs

Info

ID:	37573
PubChem CID:	8022301
Reduced:	ClNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	315.148396
ΔH_f, kcal/mol:	-121.24
Dipole, Da:	6.96
IP(EA), eV:	-9.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-5-phenyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)OC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations