Geometry & MOs

Info

ID:	364471
PubChem CID:	127315723
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	272.075012
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	5.37
IP(EA), eV:	-8.98(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations