Geometry & MOs

Info

ID:	354453
PubChem CID:	127286897
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	337.272927
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	7.29
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCC3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations