Geometry & MOs

Info

ID:	234718
PubChem CID:	92303371
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	6.05
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-tert-butyl-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H]1CCC2=C(C1)C(=NN2)C(=O)N/N=C/C3=CC=CO3

DOS

IR

Vibrations