Geometry & MOs

Info

ID:	130233
PubChem CID:	51075340
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	6.01
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=NC=CN=C3

DOS

IR

Vibrations