Geometry & MOs

Info

ID:	398029
PubChem CID:	135031446
Reduced:	NOC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	21.23
Dipole, Da:	4.1
IP(EA), eV:	-8.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-formyl-2-phenylhept-6-enoate

Drug info:

PubChemData

Smile

CC1(CCCC(=C1OC)C2=CC=CC=C2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations