Geometry & MOs

Info

ID:	368452
PubChem CID:	127328728
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	10.93
Dipole, Da:	2.18
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylbutan-2-yl)cyclohexyl]-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC(C)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations