Geometry & MOs

Info

ID:	342246
PubChem CID:	127265023
Reduced:	ClON4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	299.179776
ΔH_f, kcal/mol:	71.53
Dipole, Da:	4.36
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methylphenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N=C(N2)C(=CC3=C4C=CC=CN4N=C3)Cl

DOS

IR

Vibrations