Geometry & MOs

Info

ID:	364129
PubChem CID:	127314302
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	4.88
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations