Geometry & MOs

Info

ID:	80196
PubChem CID:	49833472
Reduced:	N2F3O6H13C20 (1)
Stoich.:	A2B3C6D13E20 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-250.78
Dipole, Da:	7.88
IP(EA), eV:	-9.58(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-N-[(1R)-1-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

Drug info:

PubChemData

Smile

C1C(ON=C1OC2=CN=C(C=C2)C3=CC=C(O3)C(=O)O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations