Geometry & MOs

Info

ID:	235258
PubChem CID:	92304296
Reduced:	FON2C27H27 (1)
Stoich.:	ABC2D27E27 (1)
Weight, g/mol:	422.256943
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.83
IP(EA), eV:	-8.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)N[C@H](C)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations