Geometry & MOs

Info

ID:	22663
PubChem CID:	598272
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	4.12
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-cyano-1-methylindol-2-yl)methyl]-4-phenylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(CC1)CC2=C(C3=CC=CC=C3N2C)C#N)C4=CC=CC=C4

DOS

IR

Vibrations