Geometry & MOs

Info

ID:	348262
PubChem CID:	127273327
Reduced:	ON2C5H8 (3)
Stoich.:	AB2C5D8 (3)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	3.24
IP(EA), eV:	-9.39(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCCN2C=NC=N2)C(=O)N3CCOCC3

DOS

IR

Vibrations