Geometry & MOs

Info

ID:	335754
PubChem CID:	127254616
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	457.214761
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	6.47
IP(EA), eV:	-8.79(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)NC(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations