Geometry & MOs

Info

ID:	380629
PubChem CID:	134971125
Reduced:	O7C34H56 (1)
Stoich.:	A7B34C56 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-360.94
Dipole, Da:	3.62
IP(EA), eV:	-9.34(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylidene-8,9-dihydro-6H-quinolizin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\[C@H]1CCC[C@H]([C@@H]1[C@H](C)C(=O)OC)C)/[C@H]2[C@@H](CC[C@H](O2)/C=C/[C@H](C)[C@H]3[C@H](C[C@@H](O3)[C@H](C)OC)C)C

DOS

IR

Vibrations