Geometry & MOs

Info

ID:	364152
PubChem CID:	127314328
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	4.72
IP(EA), eV:	-9.49(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NCC2(COC2)C

DOS

IR

Vibrations