Geometry & MOs

Info

ID:	129911
PubChem CID:	51074261
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-164.03
Dipole, Da:	4.09
IP(EA), eV:	-9.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(azepan-1-ylmethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)CC(COC1=CC=CC(=C1)C(=O)C)O

DOS

IR

Vibrations