Geometry & MOs

Info

ID:	342250
PubChem CID:	127265027
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	5.47
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)C(C#N)NC(=O)C=CC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations