Geometry & MOs

Info

ID:	347418
PubChem CID:	127272267
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	4.05
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CCNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations