Geometry & MOs

Info

ID:	44321
PubChem CID:	10502755
Reduced:	ON4H22C28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	430.222957
ΔH_f, kcal/mol:	142.3
Dipole, Da:	4.72
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[2-[ethyl(pyrrol-1-yl)amino]pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/N2C(=N[N+](=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)/[O-]

DOS

IR

Vibrations