Geometry & MOs

Info

ID:	289378
PubChem CID:	104348088
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	8.29
Dipole, Da:	7.02
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(aminomethyl)-5-methylphenyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=C(C=C(C=N2)N)C#N

DOS

IR

Vibrations