Geometry & MOs

Info

ID:	154453
PubChem CID:	56313894
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	443.10085
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	2.56
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-1-methylindol-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations