Geometry & MOs

Info

ID:	289618
PubChem CID:	104360611
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	5.47
IP(EA), eV:	-7.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NCC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations