Geometry & MOs

Info

ID:	377104
PubChem CID:	134223142
Reduced:	NC24H33 (1)
Stoich.:	AB24C33 (1)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	35.06
Dipole, Da:	1.02
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methanimidoyl-6-(4-pentylcyclohexyl)naphthalen-2-yl] prop-2-enoate

Drug info:

PubChemData

Smile

C/C=C(\C)/CCC(C)(C1C(=C)C2=C(C1=C)C=C(C=C2)CN)/C(=C/C)/C

DOS

IR

Vibrations