Geometry & MOs

Info

ID:	299471
PubChem CID:	117683162
Reduced:	O3N5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	4.21
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-piperidin-4-yloxypyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC=CC(=C3)CN4CCN(CC4)CC(=O)N)O

DOS

IR

Vibrations