Geometry & MOs

Info

ID:	449386
PubChem CID:	135298192
Reduced:	Cl2N4O4C31H32 (1)
Stoich.:	A2B4C4D31E32 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	-92.39
Dipole, Da:	5.55
IP(EA), eV:	-8.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-prop-1-en-2-yl-1-pyrrolidin-1-ylpropan-2-amine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)N(N=C3C4=CC(=CC=C4)C(=O)NC5CCOCC5)C6CCCCO6

DOS

IR

Vibrations