Geometry & MOs

Info

ID:	37043
PubChem CID:	8016366
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	380.071641
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	4.04
IP(EA), eV:	-8.74(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-chlorophenyl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)COC1=CC2=C(C=C1)N3C4=C2C=CN=C4C5=CC=CC=C5C3=O

DOS

IR

Vibrations