Geometry & MOs

Info

ID:	307109
PubChem CID:	125267632
Reduced:	BrO2N7C18H20 (1)
Stoich.:	AB2C7D18E20 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	44.47
Dipole, Da:	4.23
IP(EA), eV:	-9.21(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2,3,5-trimethyl-1,3-dihydropyrazol-4-yl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]1N=C(N=N1)NC(=O)[C@H]2CC(=O)N(C2)C3=NNC4=C3C=CC(=C4)Br

DOS

IR

Vibrations