Geometry & MOs

Info

ID:	359276
PubChem CID:	127297872
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-109.47
Dipole, Da:	4.84
IP(EA), eV:	-8.95(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylpyrimidin-5-yl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)NC2CC(=O)N(C2)C

DOS

IR

Vibrations