Geometry & MOs

Info

ID:	366998
PubChem CID:	127322546
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	2.61
IP(EA), eV:	-8.66(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NCCC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations