Geometry & MOs

Info

ID:	349081
PubChem CID:	127274807
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	2.73
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)NC(=O)CSCC2CCCCO2

DOS

IR

Vibrations