Geometry & MOs

Info

ID:	308497
PubChem CID:	125333258
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	2.74
IP(EA), eV:	-9.12(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=C(C(=CC=C1)OC)OC)C2=C(N=NC2=O)C

DOS

IR

Vibrations