Geometry & MOs

Info

ID:	302962
PubChem CID:	124489036
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	199.168462
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	2.33
IP(EA), eV:	-8.72(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)OC)(CO)N

DOS

IR

Vibrations