Geometry & MOs

Info

ID:	418433
PubChem CID:	135104756
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	3.15
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzoyl-1,4-diazepan-1-yl)-(2,3-dihydro-1H-inden-1-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)CC4=CC5=C(C=C4Cl)OCO5

DOS

IR

Vibrations