Geometry & MOs

Info

ID:	435861
PubChem CID:	135192597
Reduced:	SN2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	42.44
Dipole, Da:	2.34
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3,3-dimethyl-2-(3-methyl-2,4-diazabicyclo[1.1.0]butan-1-yl)aziridin-2-yl]phenyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C2=CN=C(S2)C3CCC3

DOS

IR

Vibrations