Geometry & MOs

Info

ID:	145912
PubChem CID:	53610930
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	6.43
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-3-[2-(pyrimidin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=C(C=CC=N2)OCCCC#N)C

DOS

IR

Vibrations