Geometry & MOs

Info

ID:	349808
PubChem CID:	127276200
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	380.12117
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	5.83
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations