Geometry & MOs

Info

ID:	147668
PubChem CID:	53787325
Reduced:	BNC30H34 (1)
Stoich.:	ABC30D34 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	26.92
Dipole, Da:	1.84
IP(EA), eV:	-8.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-aminopentylidene)-3-(4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

B(C1=C(C2=CC=CC=C2C=C1)N(C)C)(C3=C(C=C(C=C3C)C)C)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations