Geometry & MOs

Info

ID:	143773
PubChem CID:	53259328
Reduced:	O7C23H30 (1)
Stoich.:	A7B23C30 (1)
Weight, g/mol:	463.200825
ΔH_f, kcal/mol:	-254.11
Dipole, Da:	6.05
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-pyrazin-2-ylphenyl)methyl]pyrido[3,2-h]quinazolin-4-one

Drug info:

PubChemData

Smile

COCO[C@@H]1C[C@H](O[C@@H]([C@H]1OCOC)/C=C/C2=CC=CC=C2)C[C@H]3CC=CC(=O)O3

DOS

IR

Vibrations