Geometry & MOs

Info

ID:	130388
PubChem CID:	51075796
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	341.01975
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	6.2
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations