Geometry & MOs

Info

ID:	391089
PubChem CID:	135002732
Reduced:	N3O5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	9.9
IP(EA), eV:	-9.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-propan-2-ylphenyl)-1,2-dihydrofuro[3,4-b]pyrazin-3-amine

Drug info:

PubChemData

Smile

CC1=N[C@]([C@@H](N1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)OC)C(=O)O

DOS

IR

Vibrations