Geometry & MOs

Info

ID:	76230
PubChem CID:	48424633
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	5.24
IP(EA), eV:	-9.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CCC1=CC=C(C=C1)F)OCC2CC2

DOS

IR

Vibrations