Geometry & MOs

Info

ID:	333191
PubChem CID:	127251739
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	12.14
Dipole, Da:	4.61
IP(EA), eV:	-8.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCC(C2)C3=CC(=NN3)C(=O)NCC4=CC=CC=C4OC)C

DOS

IR

Vibrations