Geometry & MOs

Info

ID:	283440
PubChem CID:	103981093
Reduced:	FN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	1.15
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyrrolidin-1-ylmethyl)phenyl]azepan-4-amine

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)F)NC2CCCNCC2

DOS

IR

Vibrations