Geometry & MOs

Info

ID:	238480
PubChem CID:	92741410
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	2.34
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-(furan-2-yl)-3-methyl-N-(3-methylbutyl)-1-oxo-2-[(2R)-2-phenylpropyl]-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C(=CC=C2C(=O)N1CCC(C)C)C3=CC=CO3)C

DOS

IR

Vibrations