Geometry & MOs

Info

ID:	270239
PubChem CID:	103635587
Reduced:	BrOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	29.0
Dipole, Da:	3.05
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNCCC2=CC=C(S2)Br)OC)C

DOS

IR

Vibrations