Geometry & MOs

Info

ID:	360321
PubChem CID:	127300964
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	391.10077
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	9.07
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN3C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations