Geometry & MOs

Info

ID:	185796
PubChem CID:	77349101
Reduced:	O2N3C33H41 (1)
Stoich.:	A2B3C33D41 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	6.03
IP(EA), eV:	-8.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(1H-inden-2-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)CN3CCN(CC3)CC(COC4=CC=CC=C4C=CC5=CC=NC=C5)O

DOS

IR

Vibrations