Geometry & MOs

Info

ID:	196653
PubChem CID:	78858901
Reduced:	OCl2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2=CC(=C(N2)Cl)Cl

DOS

IR

Vibrations