Geometry & MOs

Info

ID:	357318
PubChem CID:	127293951
Reduced:	S2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	369.116107
ΔH_f, kcal/mol:	107.65
Dipole, Da:	3.84
IP(EA), eV:	-9.19(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(1-propan-2-yltetrazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CSC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations