Geometry & MOs

Info

ID:	153700
PubChem CID:	56312994
Reduced:	FN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	387.232205
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	5.23
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations