Geometry & MOs

Info

ID:	432034
PubChem CID:	135172166
Reduced:	N7C27H29 (1)
Stoich.:	A7B27C29 (1)
Weight, g/mol:	467.326026
ΔH_f, kcal/mol:	141.22
Dipole, Da:	4.34
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]-4-[(4,4-dimethylcyclohexyl)-(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)N4CCC5CNCC5CC4)NN=C

DOS

IR

Vibrations