Geometry & MOs

Info

ID:	344071
PubChem CID:	127267247
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	2.7
IP(EA), eV:	-9.01(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)-3-(6-methoxypyrimidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NC(C2=CC=CC=C2)C(C)(C)CO

DOS

IR

Vibrations