Geometry & MOs

Info

ID:	336026
PubChem CID:	127255033
Reduced:	FON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	5.09
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NCCN3C=CC4=C3C=C(C=C4)F

DOS

IR

Vibrations