Geometry & MOs

Info

ID:	194227
PubChem CID:	78501080
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	1.28
IP(EA), eV:	-9.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations