Geometry & MOs

Info

ID:	272578
PubChem CID:	103748488
Reduced:	SN2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	299.257277
ΔH_f, kcal/mol:	19.19
Dipole, Da:	1.76
IP(EA), eV:	-9.1(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(1-methylpyrrolidin-3-yl)amino]methyl]pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=CC=C(C=C2)CC(C)C

DOS

IR

Vibrations