Geometry & MOs

Info

ID:	146032
PubChem CID:	53625977
Reduced:	N2O2C19H32 (1)
Stoich.:	A2B2C19D32 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	2.02
IP(EA), eV:	-8.51(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)azepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)CCOC2=CC=C(C=C2)C(C)(C)C)O

DOS

IR

Vibrations