Geometry & MOs

Info

ID:	364046
PubChem CID:	127313717
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	347.03817
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	6.6
IP(EA), eV:	-9.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)N2CCC3=CN=CN=C3C2)C

DOS

IR

Vibrations