Geometry & MOs

Info

ID:	217377
PubChem CID:	85087722
Reduced:	O5C21H26 (1)
Stoich.:	A5B21C26 (1)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-157.13
Dipole, Da:	5.55
IP(EA), eV:	-9.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-methoxy-4-(methoxymethoxy)-5-propan-2-ylnaphthalen-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1C2C3CCC(=O)C3(CCC2C4(CCC(=O)C=C4C1=O)C)C

DOS

IR

Vibrations