Geometry & MOs

Info

ID:	434908
PubChem CID:	135175966
Reduced:	ClN8O8C50H65 (1)
Stoich.:	AB8C8D50E65 (1)
Weight, g/mol:	142.146999
ΔH_f, kcal/mol:	-218.34
Dipole, Da:	3.88
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(3R,4S)-4-methylpyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CCCC(C=O)N(C)C(=O)C1=C(C=CC=C1NCCOCCOCCOCCOCCOCCN2CCN(CC2)CC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5NCC6=CC=CC=C6Cl)C=O

DOS

IR

Vibrations