Geometry & MOs

Info

ID:	283449
PubChem CID:	103981883
Reduced:	NC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	2.76
IP(EA), eV:	-8.75(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(azepan-4-ylamino)-2-phenylacetate

Drug info:

PubChemData

Smile

CC1CCCCC1CNC2CCNCC3=CC=CC=C23

DOS

IR

Vibrations