Geometry & MOs

Info

ID:	161199
PubChem CID:	57391026
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	494.270006
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	7.73
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[4-[4-(4-chlorophenyl)piperidin-1-yl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]pentan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC=C(C=C1)C2(C3=C(C=NC=C3)C(=O)N2)O

DOS

IR

Vibrations