Geometry & MOs

Info

ID:	41695
PubChem CID:	8146839
Reduced:	SN4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	294.148061
ΔH_f, kcal/mol:	110.53
Dipole, Da:	8.38
IP(EA), eV:	-8.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl(ethyl)amino]methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations