Geometry & MOs

Info

ID:	416310
PubChem CID:	135089323
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	5.06
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations