Geometry & MOs

Info

ID:	80201
PubChem CID:	49833506
Reduced:	FO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	527.233268
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	4.44
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[2-(ethylamino)-3H-benzimidazol-5-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-(3-fluorophenyl)piperidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1CF)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=C(C=C4)N=C(N5)N

DOS

IR

Vibrations