Geometry & MOs

Info

ID:	271526
PubChem CID:	103682467
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	-14.38
Dipole, Da:	2.61
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNCC2=CC=CC3=C2OC(C3)(C)C

DOS

IR

Vibrations