Geometry & MOs

Info

ID:	361242
PubChem CID:	127302406
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	2.73
IP(EA), eV:	-8.64(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C(C)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations