Geometry & MOs

Info

ID:	237473
PubChem CID:	92719319
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	1.32
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=CC=C3)CC(=O)NCC(C)C)C

DOS

IR

Vibrations