Geometry & MOs

Info

ID:	200985
PubChem CID:	79470839
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	173.152812
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	5.69
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-ethyl-1-(2-methylbutyl)urea

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations