Geometry & MOs

Info

ID:	278718
PubChem CID:	103837206
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	0.92
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[(1-cyclopropylcyclopropyl)methyl]urea

Drug info:

PubChemData

Smile

CC1(CC1C(=O)N2CC(=O)NC3=CC=CC=C32)C

DOS

IR

Vibrations