Geometry & MOs

Info

ID:	431985
PubChem CID:	135172113
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	348.325297
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	11.71
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-4-(2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-4-yl)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)N2C(=NN=N2)N

DOS

IR

Vibrations