Geometry & MOs

Info

ID:	368909
PubChem CID:	127330917
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	6.41
IP(EA), eV:	-8.29(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(1-morpholin-4-ylethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(CN1CCCCC1)NC(=O)NC2=CC=C(C=C2)C(C)N3CCOCC3

DOS

IR

Vibrations