Geometry & MOs

Info

ID:	422850
PubChem CID:	135118512
Reduced:	ON6C20H30 (1)
Stoich.:	AB6C20D30 (1)
Weight, g/mol:	349.116152
ΔH_f, kcal/mol:	33.6
Dipole, Da:	1.12
IP(EA), eV:	-8.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(2,4-dimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NC(=NO1)CN2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations