Geometry & MOs

Info

ID:	308498
PubChem CID:	125333261
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	56.71
Dipole, Da:	4.33
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-ethyl-3,4-dihydropyrazol-5-yl)-N-(3H-pyrrol-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCN1CCC(=N1)[C@H](C)NCC2=NC=CC2

DOS

IR

Vibrations