Geometry & MOs

Info

ID:	299472
PubChem CID:	117683197
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	493.230074
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	6.1
IP(EA), eV:	-8.86(-1.12)
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-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC1OC2=NC=NC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations