Geometry & MOs

Info

ID:	179115
PubChem CID:	76435059
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	55.51
Dipole, Da:	3.43
IP(EA), eV:	-9.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC2C3CC(CN(C3)C4=NN=NN4C5=CC=CC=C5)CN2C(=O)C1

DOS

IR

Vibrations