Geometry & MOs

Info

ID:	357378
PubChem CID:	127294011
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-110.36
Dipole, Da:	6.57
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-yl)pyridin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2S1)NC(=O)CN3C(=O)C4(CCCCC4)NC3=O

DOS

IR

Vibrations