Geometry & MOs

Info

ID:	364126
PubChem CID:	127314299
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	312.138639
ΔH_f, kcal/mol:	13.95
Dipole, Da:	4.56
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluorophenyl)cyclopropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations