Geometry & MOs

Info

ID:	369311
PubChem CID:	127332312
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	2.64
IP(EA), eV:	-8.39(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NC2=C(N=CC=C2)N3CCCC3

DOS

IR

Vibrations