Geometry & MOs

Info

ID:	365564
PubChem CID:	127318045
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	337.272927
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	6.19
IP(EA), eV:	-8.63(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylcyclohexyl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations