Geometry & MOs

Info

ID:	198303
PubChem CID:	79083375
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	4.18
IP(EA), eV:	-7.85(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1N)NCC2CN3CCCC3CO2)C

DOS

IR

Vibrations