Geometry & MOs

Info

ID:	181852
PubChem CID:	76803522
Reduced:	ClO3N5C23H32 (1)
Stoich.:	AB3C5D23E32 (1)
Weight, g/mol:	318.210742
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	2.02
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-4-(2-fluoropropyl)-3-methyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NC(C)CO)C)OCCCC2CCN(CC2)C3=NC=C(C=N3)Cl

DOS

IR

Vibrations