Geometry & MOs

Info

ID:	330508
PubChem CID:	127247915
Reduced:	ClFO2N3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-125.34
Dipole, Da:	6.2
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethyl-1H-indole-5-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)F)Cl)C

DOS

IR

Vibrations