Geometry & MOs

Info

ID:	307072
PubChem CID:	125267465
Reduced:	BrON5C15H18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	142.05
Dipole, Da:	9.72
IP(EA), eV:	-9.04(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyano-3-(5-methoxy-2H-indol-3-yl)-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)CCCNN1CN=C2C3=C(C=CC(=C3)Br)N=C2C1=O

DOS

IR

Vibrations