Geometry & MOs

Info

ID:	438731
PubChem CID:	135228484
Reduced:	N2C29H34 (1)
Stoich.:	A2B29C34 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	51.54
Dipole, Da:	5.3
IP(EA), eV:	-7.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-[(2E)-2-(7-methoxy-6-methyl-2-methylidene-3-propan-2-yl-3,4-dihydronaphthalen-1-ylidene)acetyl]but-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)C4=CN=C(C=C4)C

DOS

IR

Vibrations