Geometry & MOs

Info

ID:	198408
PubChem CID:	79097204
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	47.38
Dipole, Da:	3.26
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=CN(C=C1)CC2=CSC=N2)N

DOS

IR

Vibrations