Geometry & MOs

Info

ID:	193080
PubChem CID:	78339069
Reduced:	O2S2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	4.43
IP(EA), eV:	-8.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxole-5-carbonyl)-2-[(2-methoxyphenyl)methyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC(C)C2NC3C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations