Geometry & MOs

Info

ID:	160816
PubChem CID:	57389882
Reduced:	FON7C23H24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	59.72
Dipole, Da:	2.72
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(CCN3C=C(C=N3)C4=NC=C(C=C4)F)C(C)C

DOS

IR

Vibrations