Geometry & MOs

Info

ID:	415957
PubChem CID:	135088959
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	482.300539
ΔH_f, kcal/mol:	-69.55
Dipole, Da:	8.62
IP(EA), eV:	-9.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-12-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC1=NC=CC(=N1)N(C)CC

DOS

IR

Vibrations