Geometry & MOs

Info

ID:	364519
PubChem CID:	127315771
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	7.87
IP(EA), eV:	-8.92(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-2-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CCCN2C(=O)C)C

DOS

IR

Vibrations