Geometry & MOs

Info

ID:	77226
PubChem CID:	48425947
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-48.95
Dipole, Da:	2.96
IP(EA), eV:	-9.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations