Geometry & MOs

Info

ID:	198407
PubChem CID:	79097203
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	19.9
Dipole, Da:	4.85
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CC2=CC3=C(CCC3)C=C2)N

DOS

IR

Vibrations