Geometry & MOs

Info

ID:	364418
PubChem CID:	127315657
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	6.16
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC3=C(O2)C=CC(=N3)C)C

DOS

IR

Vibrations