Geometry & MOs

Info

ID:	336133
PubChem CID:	127255140
Reduced:	O3N5H23C27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	5.39
IP(EA), eV:	-8.71(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations