Geometry & MOs

Info

ID:	80295
PubChem CID:	49833873
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	602.211645
ΔH_f, kcal/mol:	-71.86
Dipole, Da:	6.04
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCCC(C5)O

DOS

IR

Vibrations