Geometry & MOs

Info

ID:	235221
PubChem CID:	92304237
Reduced:	ClON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	5.12
IP(EA), eV:	-8.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-pentylpropanamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)NCC(C)C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations