Geometry & MOs

Info

ID:	70550
PubChem CID:	48413497
Reduced:	N3O5C21H35 (1)
Stoich.:	A3B5C21D35 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-203.82
Dipole, Da:	4.63
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[5-(diethylamino)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations