Geometry & MOs

Info

ID:	244697
PubChem CID:	99376434
Reduced:	ClO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	4.65
IP(EA), eV:	-9.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NCCC(=O)NCC2=CC=NC=C2)Cl

DOS

IR

Vibrations