Geometry & MOs

Info

ID:	153918
PubChem CID:	56313256
Reduced:	O2F3N3C23H24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	446.24819
ΔH_f, kcal/mol:	-175.17
Dipole, Da:	7.68
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)F)F)CC4=CC=CC=C4F

DOS

IR

Vibrations