Geometry & MOs

Info

ID:	323692
PubChem CID:	126675753
Reduced:	N4C9H14 (2)
Stoich.:	A4B9C14 (2)
Weight, g/mol:	446.13174
ΔH_f, kcal/mol:	77.72
Dipole, Da:	4.41
IP(EA), eV:	-8.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCCC12CC(C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations