Geometry & MOs

Info

ID:	353635
PubChem CID:	127285212
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	1.01
IP(EA), eV:	-8.77(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2(CCOCC2)N3CCCC3)C

DOS

IR

Vibrations