Geometry & MOs

Info

ID:	332024
PubChem CID:	127250310
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	442.175339
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	2.67
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(benzotriazol-1-yl)acetyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations