Geometry & MOs

Info

ID:	331771
PubChem CID:	127250055
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-7.01
Dipole, Da:	1.74
IP(EA), eV:	-9.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6-benzylpyridin-2-yl)morpholine-4-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations