Geometry & MOs

Info

ID:	196447
PubChem CID:	78828174
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	5.59
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations