Geometry & MOs

Info

ID:	156670
PubChem CID:	56371629
Reduced:	ON2C22H32 (1)
Stoich.:	AB2C22D32 (1)
Weight, g/mol:	493.217698
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	3.83
IP(EA), eV:	-8.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[3-hydroxy-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations