Geometry & MOs

Info

ID:	148512
PubChem CID:	53788175
Reduced:	NOC10H18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	439.268236
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755816
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[3-(2-methoxycarbonyl-4,4-dimethylpyrrolidin-1-yl)-3-oxopropyl]-methylamino]propanoyl]-4,4-dimethylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2C1CC(N(C2)[O-])C

DOS

IR

Vibrations