Geometry & MOs

Info

ID:	347420
PubChem CID:	127272269
Reduced:	OSN5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	13.41
Dipole, Da:	4.43
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations