Geometry & MOs

Info

ID:	233998
PubChem CID:	92297505
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	10.15
Dipole, Da:	4.85
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H]2C3=CC=CN3CCN2C(=O)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations