Geometry & MOs

Info

ID:	361426
PubChem CID:	127303340
Reduced:	N5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	72.9
Dipole, Da:	2.3
IP(EA), eV:	-8.62(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-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

CCN1C=NC2=C(N=CN=C21)NC3C(CC4=CC=CC=C34)C

DOS

IR

Vibrations