Geometry & MOs

Info

ID:	172321
PubChem CID:	75497025
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	271.148476
ΔH_f, kcal/mol:	35.84
Dipole, Da:	4.25
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN2CCOC(C2)(C)C3=CN(N=C3)C)OC4=CN=CC=C4)C

DOS

IR

Vibrations