Geometry & MOs

Info

ID:	243112
PubChem CID:	99215697
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	7.78
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1S)-1-[[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)N2C=C(N=N2)C(=O)N)NC(=O)C[C@@H]3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations