Geometry & MOs

Info

ID:	430828
PubChem CID:	135170895
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	414.091725
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	6.24
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-4-pyridin-3-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations