Geometry & MOs

Info

ID:	364452
PubChem CID:	127315704
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-116.43
Dipole, Da:	5.55
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(2,3-dimethyl-1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=CC(=C2)F)F)C

DOS

IR

Vibrations