Geometry & MOs

Info

ID:	233726
PubChem CID:	92093097
Reduced:	ON4H16C18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	50.76
Dipole, Da:	5.42
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-3-[(2-pyridin-4-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations