Geometry & MOs

Info

ID:	362084
PubChem CID:	127305761
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3H-benzo[e]indole-2-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations