Geometry & MOs

Info

ID:	218937
PubChem CID:	85090205
Reduced:	O5C14H18 (2)
Stoich.:	A5B14C18 (2)
Weight, g/mol:	532.220951
ΔH_f, kcal/mol:	-455.2
Dipole, Da:	4.28
IP(EA), eV:	-9.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(phenylmethoxymethyl)-4-(3,4,5-trimethoxybenzoyl)-2,3-dihydropyrazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C(C2(C13C(C(CC2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)COC(=O)C)O)OC(=O)C

DOS

IR

Vibrations