Geometry & MOs

Info

ID:	311656
PubChem CID:	126596840
Reduced:	PN4O8C18H23 (1)
Stoich.:	AB4C8D18E23 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-332.89
Dipole, Da:	5.91
IP(EA), eV:	-9.96(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-chlorophenyl)-5-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N(C(C)C)P(=O)(OC1=CC=CC=C1)ON=C2C(=O)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations