Geometry & MOs

Info

ID:	330719
PubChem CID:	127248126
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	4.19
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(N=C2C=C1)C)NCCN3C=C(C=CC3=O)C(=O)O

DOS

IR

Vibrations