Geometry & MOs

Info

ID:	344056
PubChem CID:	127267232
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	7.09
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(hydroxymethyl)cyclobutyl]-phenylmethyl]-3-pyrimidin-4-ylurea

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC(=O)NC(C2=CC=CC=C2)C3(CCC3)CO

DOS

IR

Vibrations