Geometry & MOs

Info

ID:	425921
PubChem CID:	135131755
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	479.200905
ΔH_f, kcal/mol:	-148.53
Dipole, Da:	4.43
IP(EA), eV:	-9.7(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,7R,9Z,10aR)-4-(2-fluorophenyl)-9-(hydroxymethylidene)-7,10a-dimethyl-2-quinolin-4-yl-6,6a,7,10-tetrahydro-5H-benzo[h]quinazolin-8-one

Drug info:

PubChemData

Smile

CC1C[C@@H]2[C@H](C(=O)CC[C@]2(C3(C1)OCCO3)C)CC=C

DOS

IR

Vibrations