Geometry & MOs

Info

ID:	216885
PubChem CID:	85086926
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	2.24
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-3-enyl 2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CCC1CN(C2CC1C(=O)C3=C2C4=CC=CC=C4N3)C(=O)OC

DOS

IR

Vibrations