Geometry & MOs

Info

ID:	421588
PubChem CID:	135116268
Reduced:	ClN4O4C29H45 (1)
Stoich.:	AB4C4D29E45 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	4.65
IP(EA), eV:	-8.91(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-1H-pyrazol-5-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)COC3=CC(=CC=C3)Cl)CC(C)C

DOS

IR

Vibrations