Geometry & MOs

Info

ID:	143774
PubChem CID:	53259446
Reduced:	O2N5H25C28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	34.72
Dipole, Da:	2.09
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-2-[(1R)-2-methoxy-1-phenylethyl]-1-methyl-2-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)N2C=NC3=C(C2=O)C=C(C4=C3N=CC=C4)CC5=CC=C(C=C5)C6=NC=CN=C6)O

DOS

IR

Vibrations