Geometry & MOs

Info

ID:	362372
PubChem CID:	127307463
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	3.2
IP(EA), eV:	-9.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC2CC1CN2C(=O)NCC3=CC(=CC=C3)COC4CCOCC4

DOS

IR

Vibrations