Geometry & MOs

Info

ID:	80293
PubChem CID:	49833860
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	466.236876
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	3.91
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-phenylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCC(CC5)(C)O

DOS

IR

Vibrations