Geometry & MOs

Info

ID:	236237
PubChem CID:	92711994
Reduced:	BrON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-7.59
Dipole, Da:	3.97
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-methoxy-5-methylphenyl)-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(=C(C=C3)Br)C

DOS

IR

Vibrations