Geometry & MOs

Info

ID:	330200
PubChem CID:	127247187
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	24.81
Dipole, Da:	6.76
IP(EA), eV:	-9.65(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)cyclopropyl]-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCC(C3)C4=C(C=NN4)C

DOS

IR

Vibrations