Geometry & MOs

Info

ID:	359896
PubChem CID:	127299940
Reduced:	BrON4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	351.08071
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	2.97
IP(EA), eV:	-9.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations