Geometry & MOs

Info

ID:	154669
PubChem CID:	56314157
Reduced:	FON2C22H27 (1)
Stoich.:	ABC2D22E27 (1)
Weight, g/mol:	384.221306
ΔH_f, kcal/mol:	-59.38
Dipole, Da:	5.47
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations