Geometry & MOs

Info

ID:	440743
PubChem CID:	135231261
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-101.86
Dipole, Da:	5.27
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxypropylamino)sulfanylphenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC(=C)N

DOS

IR

Vibrations