Geometry & MOs

Info

ID:	356100
PubChem CID:	127291136
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	3.41
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-1-methyl-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations