Geometry & MOs

Info

ID:	364032
PubChem CID:	127313703
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	331.121529
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	8.03
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations