Geometry & MOs

Info

ID:	355311
PubChem CID:	127288268
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	4.61
IP(EA), eV:	-9.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCC3=CN=CN=C3C2

DOS

IR

Vibrations