Geometry & MOs

Info

ID:	422943
PubChem CID:	135118661
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	50.7
Dipole, Da:	5.11
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(N=C2N3CCN(CC3)C4=C(C=CC=N4)C(=O)N)C5=CC=CC=C5

DOS

IR

Vibrations