Geometry & MOs

Info

ID:	365494
PubChem CID:	127317916
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	4.51
IP(EA), eV:	-8.74(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=C1)C)N2CCN(CC2)C(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations