Geometry & MOs

Info

ID:	382115
PubChem CID:	134973057
Reduced:	INO8C16H26 (1)
Stoich.:	ABC8D16E26 (1)
Weight, g/mol:	367.168462
ΔH_f, kcal/mol:	-352.21
Dipole, Da:	3.04
IP(EA), eV:	-9.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-9-methyl-5-phenyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](OC1[C@@H]([C@H]2COC(O2)(C)C)O)(C(=O)OC)OC)I

DOS

IR

Vibrations