Geometry & MOs

Info

ID:	236962
PubChem CID:	92716439
Reduced:	FON3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	427.205991
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	5.48
IP(EA), eV:	-8.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-(3,5-dimethylphenyl)-5-(2-fluorophenyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)N2CCC3=C([C@H](C2)C4=CC=CC=C4F)NC5=CC=CC=C35)C

DOS

IR

Vibrations