Geometry & MOs

Info

ID:	369335
PubChem CID:	127332353
Reduced:	N3O3C19H35 (1)
Stoich.:	A3B3C19D35 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-180.64
Dipole, Da:	5.61
IP(EA), eV:	-9.42(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cycloheptyloxyethyl)-3-[(2-methylpyrimidin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NCCC(=O)N2CCCCC2

DOS

IR

Vibrations