Geometry & MOs

Info

ID:	134123
PubChem CID:	51648232
Reduced:	ClO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	10.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.047388
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-cyclopropylethyl]-1-methyl-3-phenylurea

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations