Geometry & MOs

Info

ID:	331884
PubChem CID:	127250170
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	447.146203
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	4.32
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations