Geometry & MOs

Info

ID:	307556
PubChem CID:	125307471
Reduced:	BrN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	438.134635
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	4.76
IP(EA), eV:	-10.77(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(9aR)-6-chloro-9aH-carbazol-2-yl]-N-(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=N[C@H]1Br)C(=O)O

DOS

IR

Vibrations