Geometry & MOs

Info

ID:	236231
PubChem CID:	92711978
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	5.18
IP(EA), eV:	-8.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(4-ethoxyphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=CC=CN2CCN1C(=O)NC3=CC=CC=C3C

DOS

IR

Vibrations