Geometry & MOs

Info

ID:	364237
PubChem CID:	127314541
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	7.95
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2C1)C(=O)N3CCC4=CN=CN=C4C3)O

DOS

IR

Vibrations