Geometry & MOs

Info

ID:	431988
PubChem CID:	135172116
Reduced:	N2C9H19 (2)
Stoich.:	A2B9C19 (2)
Weight, g/mol:	511.277025
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	1.24
IP(EA), eV:	-8.38(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C)N1CCCC(C1)N)N2CCC(CC2)N

DOS

IR

Vibrations