Geometry & MOs

Info

ID:	330377
PubChem CID:	127247364
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	19.75
Dipole, Da:	6.71
IP(EA), eV:	-9.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)cyclopropyl]-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCCCC3C4=C(C=NN4)C

DOS

IR

Vibrations