Geometry & MOs

Info

ID:	171807
PubChem CID:	75428332
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	5.6
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(C)N[C@H](CCO)C2=CC=CC=C2

DOS

IR

Vibrations