Geometry & MOs

Info

ID:	234963
PubChem CID:	92303793
Reduced:	FON4C25H35 (1)
Stoich.:	ABC4D25E35 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	3.13
IP(EA), eV:	-9.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3F)C)C

DOS

IR

Vibrations