Geometry & MOs

Info

ID:	369010
PubChem CID:	127331114
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	311.257277
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	3.68
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)N(C)CC2=NC=CN=C2

DOS

IR

Vibrations